N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide

C18H21N3O2 — CID 109239442

IUPACN-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(22)13-5-7-15(8-6-13)20-17(23)14-9-16(11-19-10-14)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,23)
InChIKeyRWWKTEWEOOVOHG-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.75
Rot. Bonds4

About N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide (PubChem CID 109239442) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
PubChem CID109239442
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1
InChIInChI=1S/C18H21N3O2/c1-12(22)13-5-7-15(8-6-13)20-17(23)14-9-16(11-19-10-14)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,23)
InChIKeyRWWKTEWEOOVOHG-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465
N-(4-bromo-3-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239465
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462
N-(4-acetylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245760
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(tert-butylamino)-N-(2,6-diethylphenyl)pyridine-3-carboxamide
CID 109239408
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide (CID 109239442) is N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(NC(C)(C)C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
The InChIKey is RWWKTEWEOOVOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(22)13-5-7-15(8-6-13)20-17(23)14-9-16(11-19-10-14)21-18(2,3)4/h5-11,21H,1-4H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).